(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)-2-thienyl]prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)-2-thiophenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-[5-(2-fluorophenyl)-2-thienyl]acrylonitrile Formula: C21H11BrFN3OS MolecularWeight: 452.298943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(S2)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(S2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br)F

InChI

InChI=1S/C21H11BrFN3OS/c22-13-5-7-18-16(10-13)21(27)26-20(25-18)12(11-24)9-14-6-8-19(28-14)15-3-1-2-4-17(15)23/h1-10H,(H,25,26,27)/b12-9+